methyl 4-[[2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: methyl 4-[[2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: methyl 4-[[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl]amino]benzoate CAS Name: 4-[[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]benzoate Traditional Name: 4-[[2-keto-2-[(4S)-2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]amino]benzoic acid methyl ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CNC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)CNC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H21N3O4/c1-13-11-18(24)22-16-5-3-4-6-17(16)23(13)19(25)12-21-15-9-7-14(8-10-15)20(26)27-2/h3-10,13,21H,11-12H2,1-2H3,(H,22,24)/t13-/m0/s1